Geometry & MOs

Info

ID:	439348
PubChem CID:	135229119
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	210.11907
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	2.82
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-propylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CCCC[C@@H](CCO)NC1=NC(=NC=C1OCCCC)C

DOS

IR

Vibrations